6-methoxy-2-[(5-methyl-6-piperidin-1-ylpyrimidin-4-yl)methylsulfinyl]-1H-benzimidazole

C19H23N5O2S — CID 14306144

IUPAC6-methoxy-2-[(5-methyl-6-piperidin-1-ylpyrimidin-4-yl)methylsulfinyl]-1H-benzimidazole
SMILESCOc1ccc2nc(S(=O)Cc3ncnc(N4CCCCC4)c3C)[nH]c2c1
InChIInChI=1S/C19H23N5O2S/c1-13-17(20-12-21-18(13)24-8-4-3-5-9-24)11-27(25)19-22-15-7-6-14(26-2)10-16(15)23-19/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,22,23)
InChIKeyLDJXSPJQRPDQBN-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.97
Rot. Bonds5

About 6-methoxy-2-[(5-methyl-6-piperidin-1-ylpyrimidin-4-yl)methylsulfinyl]-1H-benzimidazole

6-methoxy-2-[(5-methyl-6-piperidin-1-ylpyrimidin-4-yl)methylsulfinyl]-1H-benzimidazole (PubChem CID 14306144) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 6-methoxy-2-[(5-methyl-6-piperidin-1-ylpyrimidin-4-yl)methylsulfinyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-methoxy-2-[(5-methyl-6-piperidin-1-ylpyrimidin-4-yl)methylsulfinyl]-1H-benzimidazole
PubChem CID14306144
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC Name6-methoxy-2-[(5-methyl-6-piperidin-1-ylpyrimidin-4-yl)methylsulfinyl]-1H-benzimidazole
SMILESCOc1ccc2nc(S(=O)Cc3ncnc(N4CCCCC4)c3C)[nH]c2c1
InChIInChI=1S/C19H23N5O2S/c1-13-17(20-12-21-18(13)24-8-4-3-5-9-24)11-27(25)19-22-15-7-6-14(26-2)10-16(15)23-19/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,22,23)
InChIKeyLDJXSPJQRPDQBN-UHFFFAOYSA-N
XLogP2.97
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)methylsulfinyl]-1H-thieno[3,4-d]imidazole
CID 22167006
magnesium;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;trihydrate
CID 22712834
methanol;6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
CID 174757832
6-methoxy-2-[(R)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;piperazine
CID 52939534
magnesium;6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;dichloride;tetrahydrate
CID 54576863
magnesium;6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;dichloride;dihydrate
CID 54576653
6-methoxy-1H-benzimidazole-2-sulfinate;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
CID 158438190
[4-methoxy-6-[[(S)-(6-methoxy-1H-benzimidazol-2-yl)sulfinyl]methyl]-5-methyl-3-pyridinyl]methanol
CID 40507393
1-[2-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-3-methyl-4-pyridinyl]oxy]ethyl]pyrrolidin-2-one
CID 15166251
[(1R)-1-cyclohexylethyl]azanium;6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
CID 131727536
2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-6-(trideuteriomethoxy)-1H-benzimidazole
CID 87490691
methyl 4-methoxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methylpyridine-3-carboxylate
CID 71751330

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[(5-methyl-6-piperidin-1-ylpyrimidin-4-yl)methylsulfinyl]-1H-benzimidazole?
The IUPAC name of 6-methoxy-2-[(5-methyl-6-piperidin-1-ylpyrimidin-4-yl)methylsulfinyl]-1H-benzimidazole (CID 14306144) is 6-methoxy-2-[(5-methyl-6-piperidin-1-ylpyrimidin-4-yl)methylsulfinyl]-1H-benzimidazole.
What is the SMILES notation for 6-methoxy-2-[(5-methyl-6-piperidin-1-ylpyrimidin-4-yl)methylsulfinyl]-1H-benzimidazole?
The canonical SMILES for 6-methoxy-2-[(5-methyl-6-piperidin-1-ylpyrimidin-4-yl)methylsulfinyl]-1H-benzimidazole is COc1ccc2nc(S(=O)Cc3ncnc(N4CCCCC4)c3C)[nH]c2c1.
What is the InChIKey of 6-methoxy-2-[(5-methyl-6-piperidin-1-ylpyrimidin-4-yl)methylsulfinyl]-1H-benzimidazole?
The InChIKey is LDJXSPJQRPDQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-13-17(20-12-21-18(13)24-8-4-3-5-9-24)11-27(25)19-22-15-7-6-14(26-2)10-16(15)23-19/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,22,23).
What are the key properties of 6-methoxy-2-[(5-methyl-6-piperidin-1-ylpyrimidin-4-yl)methylsulfinyl]-1H-benzimidazole?
6-methoxy-2-[(5-methyl-6-piperidin-1-ylpyrimidin-4-yl)methylsulfinyl]-1H-benzimidazole has a molecular weight of 385.49 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[(5-methyl-6-piperidin-1-ylpyrimidin-4-yl)methylsulfinyl]-1H-benzimidazole is sourced from PubChem (CID 14306144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).